Geometry & MOs

Info

ID:

419004

PubChem CID:

135107309

Reduced:

O6N7C37H47 (1)

Stoich.:

A6B7C37D47 (1)

Weight, g/mol:

490.269239

ΔHf, kcal/mol:

-220.39

Dipole, Da:

5.42

IP(EA), eV:

 -9.48(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(14R)-20-benzyl-8,14-dimethyl-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)C(=O)CCC4=NNC(=O)C=C4

DOS

IR

Vibrations